6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole

C47H34N2 — CID 126559873

IUPAC6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccccc3)C(c3ccccc3)=N5)cc21
InChIInChI=1S/C47H34N2/c1-46(2)38-24-14-12-22-35(38)36-27-26-34(30-40(36)46)49-41-25-15-13-23-37(41)43-42(49)29-28-39-44(43)48-45(31-16-6-3-7-17-31)47(39,32-18-8-4-9-19-32)33-20-10-5-11-21-33/h3-30H,1-2H3
InChIKeyFGAOZRUPQRQBKZ-UHFFFAOYSA-N
MW626.80 g/mol
LogP11.56
Rot. Bonds4

About 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole

6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole (PubChem CID 126559873) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole
PubChem CID126559873
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccccc3)C(c3ccccc3)=N5)cc21
InChIInChI=1S/C47H34N2/c1-46(2)38-24-14-12-22-35(38)36-27-26-34(30-40(36)46)49-41-25-15-13-23-37(41)43-42(49)29-28-39-44(43)48-45(31-16-6-3-7-17-31)47(39,32-18-8-4-9-19-32)33-20-10-5-11-21-33/h3-30H,1-2H3
InChIKeyFGAOZRUPQRQBKZ-UHFFFAOYSA-N
XLogP11.56
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
9-(9,9-dimethylfluoren-2-yl)-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501110
6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole
CID 145243493
9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595599
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
9-(9,9-dimethylfluoren-2-yl)-14-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134488168
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-2-phenylpyrrolo[3,2-c]carbazole
CID 126560377
5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole
CID 138649925
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole (CID 126559873) is 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c(ccc43)C(c3ccccc3)(c3ccccc3)C(c3ccccc3)=N5)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole?
The InChIKey is FGAOZRUPQRQBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-46(2)38-24-14-12-22-35(38)36-27-26-34(30-40(36)46)49-41-25-15-13-23-37(41)43-42(49)29-28-39-44(43)48-45(31-16-6-3-7-17-31)47(39,32-18-8-4-9-19-32)33-20-10-5-11-21-33/h3-30H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole?
6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole has a molecular weight of 626.80 g/mol, XLogP of 11.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-2,3,3-triphenylpyrrolo[3,2-c]carbazole is sourced from PubChem (CID 126559873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).